⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15432949 | 0.91 | TSHR (0.30) | — | |
| SCHEMBL40791 | 0.90 | — | — | |
| SCHEMBL17826043 | 0.77 | — | — | |
| SCHEMBL22686876 | 0.73 | — | — | |
| SCHEMBL14022835 | 0.72 | — | — | |
| SCHEMBL12855816 | 0.71 | EPHX1 (0.32) | — | |
| SCHEMBL10993122 | 0.69 | — | — | |
| SCHEMBL17169669 | 0.69 | — | — | |
| SCHEMBL12855810 | 0.66 | — | — | |
| SCHEMBL17087688 | 0.65 | TSHR (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021104547-A1 | COMPOUNDS FOR MODIFICATION OF NEGATIVELY CHARGED CARRIER SURFACE, METHOD OF THEIR PREPARATION AND USE THEREOF | UNIVERZITA KARLOVA (CZ) | 2021-06-03 | — | — | WO | disclosed |
| US-9427483-B2 | Radioisotope trithiol complexes | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2016-08-30 | — | — | US | disclosed |
| US-20150283274-A1 | RADIOISOTOPE TRITHIOL COMPLEXES | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2015-10-08 | — | — | US | disclosed |